Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | GABRP | O00591 | 2/20 | 0.47 |
| ▸ | GABRD | O14764 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.47 |
| ▸ | GABRE | P78334 | 2/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.47 |
| ▸ | GRM8 | O00222 | 1/20 | 0.47 |
| ▸ | GRM6 | O15303 | 1/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14915768 | 1.00 | CYP1A2 (0.47) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3783346 | 0.88 | CYP1A2 (0.48) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3783344 | 0.88 | CYP1A2 (0.48) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3780311 | 0.83 | CYP1A2 (0.44) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3780310 | 0.83 | CYP1A2 (0.44) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL7758881 | 0.82 | BHMT (0.34) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL31206871 | 0.79 | PTGS1 (0.43) | CYP1A2CYP2D6ANPEPENPEP | |
| SCHEMBL24757397 | 0.76 | CYP1A2 (0.56) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3785917 | 0.75 | CYP1A2 (0.46) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL3785916 | 0.75 | CYP1A2 (0.46) | CYP1A2GABRPGABRDGABRA1GABRB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8980548-B2 | Methods and reagents for metabolomics and histology in a biological sample and a kit for the same | METABOLON, INC. (US) | 2015-03-17 | — | — | US | disclosed |
| US-20140296134-A1 | METHODS AND USES FOR METABOLIC PROFILING FOR CLOSTRIDIUM DIFFICILE INFECTION | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2014-10-02 | — | — | US | disclosed |
| US-20130115649-A1 | Methods and Reagents for Metabolomics and Histology in a Biological Sample and a Kit for the Same | METABOLON, INC. | 2013-05-09 | — | — | US | disclosed |